Geometry & MOs

Info

ID:	302048
PubChem CID:	124343106
Reduced:	ClO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	472.96993
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	9.33
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)N/N=C\C2=C(N(C(=C2)C)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations